SCHEMBL9568008

SCHEMBL9568008

O=C(CC1CCCc2ccccc21)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
UGCG Q16739 1/20 0.48
CCR3 P51677 1/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
PSMB5 P28074 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
PDPK1 O15530 1/20 0.41
EPHX2 P34913 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9567979 0.89 ALDH1A1 (0.49) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9568039 0.84 UGCG (0.52) ALDH1A1HTTUGCGKDM4CKDM5A
SCHEMBL9568034 0.81 PSMB5 (0.57) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9047995 0.80 PTGIR (0.58) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9567971 0.80 PRMT5 (0.53) ALDH1A1HTTUGCGKDM4CKDM5A
SCHEMBL9567998 0.77 PRMT5 (0.49) ALDH1A1UGCG
SCHEMBL9567986 0.77 UGCG (0.50) ALDH1A1HTTUGCGKDM4CKDM5A
SCHEMBL9567955 0.77 CNR1 (0.48) ALDH1A1HTTUGCGKDM4CKDM5A
SCHEMBL3590904 0.74 FFAR1 (0.52) ALDH1A1HTTKDM4CKDM5AKDM5B
SCHEMBL30301824 0.74 FFAR1 (0.52) ALDH1A1HTTKDM4CKDM5AKDM5B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed